Information card for entry 4038193

Structure parameters

• Formula: C26 H24 N2 O3
• Calculated formula: C26 H24 N2 O3
• SMILES: O=C1OCC(N[C@@H]1/C=C(/NC(=O)C)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Catalytic Asymmetric Access to Noncanonical Chiral α-Amino Acids from Cyclic Iminoglyoxylates and Enamides.
• Authors of publication: Zhang, Yue; Li, Jun-Kuan; Zhang, Fa-Guang; Ma, Jun-An
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 9.4501 ± 0.0003 Å
• b: 9.7777 ± 0.0003 Å
• c: 23.5886 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2179.59 ± 0.12 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No